(2E)-2-(3,4-diphenyl-1,3-thiazol-2-ylidene)-3-oxidanylidene-3-piperidin-1-yl-propanenitrile

Systemtic Name: (2E)-2-(3,4-diphenyl-1,3-thiazol-2-ylidene)-3-oxidanylidene-3-piperidin-1-yl-propanenitrile Openeye Name: (2E)-2-(3,4-diphenylthiazol-2-ylidene)-3-oxo-3-(1-piperidyl)propanenitrile CAS Name: (2E)-2-(3,4-diphenyl-2-thiazolylidene)-3-oxo-3-(1-piperidinyl)propanenitrile IUPAC Name: (2E)-2-(3,4-diphenyl-1,3-thiazol-2-ylidene)-3-oxo-3-piperidin-1-ylpropanenitrile Traditional Name: (2E)-2-(3,4-diphenyl-4-thiazolin-2-ylidene)-3-keto-3-piperidino-propionitrile Formula: C23H21N3OS MolecularWeight: 387.49734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(=C2N(C(=CS2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)/C(=C/2\N(C(=CS2)C3=CC=CC=C3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C23H21N3OS/c24-16-20(22(27)25-14-8-3-9-15-25)23-26(19-12-6-2-7-13-19)21(17-28-23)18-10-4-1-5-11-18/h1-2,4-7,10-13,17H,3,8-9,14-15H2/b23-20+